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Information card for entry 4027767
Preview
| Coordinates | 4027767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C20 H16 O3 |
|---|---|
| Calculated formula | C20 H16 O3 |
| SMILES | O=C1CCCC2=C1C(=O)C(O2)(c1ccccc1)c1ccccc1 |
| Title of publication | The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene |
| Authors of publication | Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 10949 - 10954 |
| a | 14.935 ± 0.003 Å |
| b | 9.95 ± 0.002 Å |
| c | 10.439 ± 0.002 Å |
| α | 90° |
| β | 97.52 ± 0.01° |
| γ | 90° |
| Cell volume | 1537.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4027767.cif |
| 178456 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/77. |
4027767.cif |
| 81853 | 2013-04-17 | cif/ Adding structures of 4027767 via cif-deposit CGI script. |
4027767.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.